Compound Detail
CHEMBL1414554
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Basic Information
| ChEMBL ID | CHEMBL1414554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBINFZXCKFAQDK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
1.92
ALogP
4
HBA
4
HBD
133.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 6.06 | 5.84 | 862.0 | 2 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | IC50 | 5.65 | 5.65 | 2230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 862.0 | nM | 6.06 | PubChem BioAssay. FRET-based counterscreen for selective VIM-2 inhibitors: dose ... | - |
| Protein-tyrosine kinase 2-beta | IC50 | = | 2230.0 | nM | 5.65 | PUBCHEM_BIOASSAY: TR-FRET counterscreen for FAK inhibitors: dose-response bioche... | - |
| Beta Lactamase | IC50 | = | 2396.0 | nM | 5.62 | PubChem BioAssay. Epi-absorbance-based dose response biochemical high throughput... | - |
Data from ChEMBL 36 via Core Engine